SCHEMBL28753503

SCHEMBL28753503

O=C(CNc1cc(-c2ccccc2)sc1C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.49
▸ PTPRF P10586 1/20 0.49
▸ FABP4 P15090 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ IKBKB O14920 3/20 0.44
▸ TP53 P04637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ PTPRA P18433 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2247191 0.87 PTPN1 (0.46) PTPN1PTPRFFABP4MEN1POLB
SCHEMBL3809511 0.83 MEN1 (0.47) PTPN1PTPRFMEN1POLBMAPT
SCHEMBL2250413 0.83 PTPN1 (0.46) PTPN1PTPRFMEN1POLBMAPT
SCHEMBL2250633 0.82 PTPN1 (0.52) PTPN1PTPRFMEN1POLBMAPT
SCHEMBL2250470 0.82 PTPN1 (0.52) PTPN1PTPRFFABP4MEN1POLB
SCHEMBL2158083 0.80 PTPN1 (0.58) PTPN1PTPRFMEN1POLBMAPT
SCHEMBL2254299 0.80 POLB (0.54) PTPN1PTPRFMEN1POLBMAPT
SCHEMBL2248929 0.78 PTPN1 (0.47) PTPN1PTPRFMEN1POLBMAPT
SCHEMBL2254388 0.78 PTPN1 (0.52) PTPN1PTPRFMEN1POLBMAPT
SCHEMBL2250576 0.77 PTPRF (0.49) PTPN1PTPRFIKBKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 — — CN claimed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 — — CN claimed
CN-101624391-A Thiophene derivatives as antiviral agents for flavivirus infection VIROCHEM PHARMA INC 2010-01-13 — — CN disclosed
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 — — CN disclosed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 — — CN disclosed
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